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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03079440

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.7
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.75
ALYN(6)-ACETYLLYSINEA,B2B4D0.79
ALYN(6)-ACETYLLYSINEA,B2OD90.79
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.79
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.79
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.79
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.79
ALYN(6)-ACETYLLYSINEA,B2B5G0.79
ALYN(6)-ACETYLLYSINEA2GIV0.79
ALYN(6)-ACETYLLYSINEB2RNY0.79
ALYN(6)-ACETYLLYSINEA1JSP0.79
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.79
ALYN(6)-ACETYLLYSINEA,D3D4B0.79
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.79
ALYN(6)-ACETYLLYSINEA,B2R0Y0.79
ALYN(6)-ACETYLLYSINEA3CZ70.79
ALYN(6)-ACETYLLYSINEA1JM40.79
ALYN(6)-ACETYLLYSINEA,B2H4H0.79
ALYN(6)-ACETYLLYSINEA,B2J6V0.79
ALYN(6)-ACETYLLYSINEA,B2R100.79
ALYN(6)-ACETYLLYSINEA,B1YC50.79
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.79
ALYN(6)-ACETYLLYSINEA,B2H2G0.79
ALYN(6)-ACETYLLYSINEA,D2H4F0.79
ALYN(6)-ACETYLLYSINEA2OU20.79
ALYN(6)-ACETYLLYSINEA,B1S5P0.79
ALYN(6)-ACETYLLYSINEB2RNW0.79
ALYN(6)-ACETYLLYSINEA3D350.79
ALYN(6)-ACETYLLYSINEA,B2OD20.79
ALYN(6)-ACETYLLYSINEA2ZFN0.79
ALYN(6)-ACETYLLYSINEC,D2C1J0.79
ALYN(6)-ACETYLLYSINEA,B2QQG0.79
ALYN(6)-ACETYLLYSINEB2RNX0.79
ALYN(6)-ACETYLLYSINEA,B1MA30.79
ALYN(6)-ACETYLLYSINEA,B2H2H0.79
ALYN(6)-ACETYLLYSINEA2I2Z0.79
ALYN(6)-ACETYLLYSINEA,B2OD70.79
ALYN(6)-ACETYLLYSINEP1E6I0.79
ALYN(6)-ACETYLLYSINEA,B1SZC0.79
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.79
ALYN(6)-ACETYLLYSINEA,B2H2D0.79
ALYN(6)-ACETYLLYSINEA,B1Q1A0.79
ALYN(6)-ACETYLLYSINEA,B1SZD0.79
ALYN(6)-ACETYLLYSINEQ,R2E3K0.79
ALYN(6)-ACETYLLYSINEA2OZU0.79
ALYN(6)-ACETYLLYSINEA,B2QQF0.79
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.79
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.72
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.7
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.7
DNMN-METHYL-D-NORLEUCINEA1R9V0.7
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.74
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.74
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2QF70.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2RJG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8T0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2SFP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PU60.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G1BWV0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2VTD0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z2A0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1XGE0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1XQK0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2FTY0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2Z2B0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K4E0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K6S0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C1S3T0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1W7K0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2RJH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GU90.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1L6G0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z240.75
KCXLYSINE NZ-CARBOXYLIC ACIDB,E,H,K,L,O,
R,V
1UPM0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3FDK0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1RCQ0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2EG60.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3E740.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJV0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWD0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GU10.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8W0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PU70.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1POK0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z290.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1S3H0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,K,P2O4Q0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1E4D0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K380.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2FTW0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1GKQ0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJX0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1K0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3HBR0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2JFG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2VTE0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1H010.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1VFH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2QPX0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3C0Q0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B3DC80.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2VC70.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTF0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC2KAU0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1HL80.75
KCXLYSINE NZ-CARBOXYLIC ACIDB1E9Y0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWB0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H
1K1D0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1U5J0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1GKR0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWE0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1UAG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PO90.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJR0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1RQB0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJS0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K570.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8U0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2FVK0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJU0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1EYW0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1N0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z270.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,P2O4M0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K540.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1L6F0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2AQV0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1JGM0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1KRB0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJT0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GNH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3BG30.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H
3DUG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.75
KCXLYSINE NZ-CARBOXYLIC ACIDB1E9Z0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1POJ0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2EG70.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWF0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1E8C0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWC0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8V0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2UAG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C3UBP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1JBV0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1NFG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1ONX0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1YBQ0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3HTW0.75
KCXLYSINE NZ-CARBOXYLIC ACID1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1EZ20.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWJ0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z250.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1XQL0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2UUP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1VFT0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA4UAG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2AQO0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C1UBP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,S,T,
U,V
1IR10.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1P0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C2UBP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C1IE70.75
KCXLYSINE NZ-CARBOXYLIC ACIDB,E,H,L1RXO0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,E,S,W1WDD0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1EF20.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z280.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G,I,K,
M,O
1GK80.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2JFH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1OIR0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2P9V0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWI0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1JBW0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K550.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2E250.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1EPV0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1J790.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C4UBP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWA0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3C0S0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2RL30.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2JFF0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTX0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1W780.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTI0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1VFS0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2OEL0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1M6K0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1P6B0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z260.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G8RUC0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1L0.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K560.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2OEK0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2UUO0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1RQH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2EG80.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2FVM0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PU80.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1M0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1ONW0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA1RR20.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3GU20.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2ODO0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K4F0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1HL90.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C2UYN0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2OEM0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2GC50.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1FTX0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,D,E,H,K,
O,R,V
1UWA0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2GWN0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F1GKP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA3UAG0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA2ZC10.75
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJW0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2J6V0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1P6C0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1QW70.75
KCXLYSINE NZ-CARBOXYLIC ACIDB,E,H,L1AA10.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G1UPP0.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2VC50.75
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1NIU0.75
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.73
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.7
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.75
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.84
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.75
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.75
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.75
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.75
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.74
140N-PALMITOYLGLYCINEA,B1JPZ0.74
140N-PALMITOYLGLYCINEA,B1ZOA0.74
140N-PALMITOYLGLYCINEA,B3CBD0.74
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.76
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
CYKN-hexanoyl-L-homocysteineA3DHC0.71